SCHEMBL181473

SCHEMBL181473

CCOC(=O)Cc1ccc(OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
TBXAS1 P24557 1/20 0.57
CYP4Z1 Q86W10 1/20 0.53
POLB P06746 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NQO1 P15559 1/20 0.52
PARP10 Q53GL7 1/20 0.50
MAPT P10636 1/20 0.50
LIPE Q05469 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25242319 0.89 TBXAS1 (0.54) HPGDALDH1A1TBXAS1CYP4Z1SMN1; SMN2
SCHEMBL68851 0.88 CYP4Z1 (0.62) ALDH1A1TBXAS1CYP4Z1POLBNPC1
SCHEMBL3801206 0.88 TBXAS1 (0.60) HPGDALDH1A1TBXAS1SMN1; SMN2MAPT
SCHEMBL7484161 0.88 SMN1; SMN2 (0.62) ALDH1A1TBXAS1SMN1; SMN2
SCHEMBL6904947 0.88 TBXAS1 (0.53) HPGDALDH1A1TBXAS1CYP4Z1POLB
SCHEMBL11985729 0.86 ALDH1A1 (0.56) HPGDALDH1A1TBXAS1POLBNPC1
SCHEMBL4142310 0.86 TBXAS1 (0.52) HPGDALDH1A1TBXAS1CYP4Z1POLB
SCHEMBL1136018 0.86 GAA (0.53) HPGDALDH1A1TBXAS1CYP4Z1POLB
SCHEMBL924496 0.85 KMT2A (0.63) ALDH1A1GAA
SCHEMBL4986978 0.85 CYP4F2 (0.58) HPGDALDH1A1POLBNPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
WO-2019028104-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ALPHALA CO., LTD. (TW) 2019-02-07 WO disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
EP-2334687-B1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES PFIZER (US) 2012-01-04 EP disclosed
EP-2334687-A1 DIOXA-BICYCLO[3.2.1.]OCTANE-2,3,4-TRIOL DERIVATIVES Pfizer Inc. (US) 2011-06-22 EP disclosed
US-7781592-B2 Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2010-08-24 US disclosed
CN-1432015-A Indazoles substituted with 1, 1-dioxoisothiazolidine useful as cell proliferation inhibitors LG CHEM INVESTMENT LTD (KR) 2003-07-23 CN disclosed
EP-1280802-A4 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD (KR) 2003-06-11 EP disclosed
EP-1280802-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG Life Sciences Ltd. (KR) 2003-02-05 EP disclosed
WO-2001085726-A1 INDAZOLES SUBSTITUTED WITH 1,1-DIOXOISOTHIAZOLIDINE USEFUL AS INHIBITORS OF CELL PROLIFERATION LG LIFE SCIENCES LTD. (KR) 2001-11-15 WO disclosed
US-4355042-A A CYCLOBUTANE CARBOXYLIC ACID DERIVATIVE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-10-19 US disclosed
US-4348409-A MITICIDES, NEMATOCIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-09-07 US disclosed
US-4339458-A HALOCYCLOBUTANECARBOXYLATES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1982-07-13 US disclosed
EP-0002620-B1 CYCLOALKYL CARBOXYLIC ESTERS, INSECTICIDAL COMPOSITIONS CONTAINING THEM, AND METHODS FOR THEIR PREPARATION COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1981-11-25 EP disclosed
US-4235926-A DERIVATIVES OF CYCLOBUTANE COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1980-11-25 US disclosed
EP-0002620-A1 Cycloalkyl carboxylic esters, insecticidal compositions containing them, and methods for their preparation COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-06-27 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH HPGD 967/4885ALDH1A1 546/4885TBXAS1 1435/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.